5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole

C15H10Br2Cl2N2 — CID 107601498

IUPAC5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C15H10Br2Cl2N2/c1-8(18)15-20-12-7-9(19)5-6-13(12)21(15)14-10(16)3-2-4-11(14)17/h2-8H,1H3
InChIKeyCMRHYJUPEKKLCL-UHFFFAOYSA-N
MW448.97 g/mol
LogP6.50
Rot. Bonds2

About 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole

5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole (PubChem CID 107601498) has the molecular formula C15H10Br2Cl2N2 and a molecular weight of 448.97 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
PubChem CID107601498
Molecular FormulaC15H10Br2Cl2N2
Molecular Weight448.97 g/mol
Exact Mass445.86
IUPAC Name5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C15H10Br2Cl2N2/c1-8(18)15-20-12-7-9(19)5-6-13(12)21(15)14-10(16)3-2-4-11(14)17/h2-8H,1H3
InChIKeyCMRHYJUPEKKLCL-UHFFFAOYSA-N
XLogP6.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.97
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170
1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107601622
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
CID 115470912
5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
CID 43667557

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole (CID 107601498) is 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole is CC(Cl)c1nc2cc(Cl)ccc2n1-c1c(Br)cccc1Br.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole?
The InChIKey is CMRHYJUPEKKLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2Cl2N2/c1-8(18)15-20-12-7-9(19)5-6-13(12)21(15)14-10(16)3-2-4-11(14)17/h2-8H,1H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole?
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole has a molecular weight of 448.97 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole is sourced from PubChem (CID 107601498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).